Geometry & MOs

Info

ID:	418725
PubChem CID:	135106646
Reduced:	FO2N7C15H16 (1)
Stoich.:	AB2C7D15E16 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-0.27
Dipole, Da:	3.11
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-6-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-oxa-2,5-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)NCCC3=NC(=NN3)N)F

DOS

IR

Vibrations