Geometry & MOs

Info

ID:	418974
PubChem CID:	135107239
Reduced:	ON7C19H27 (1)
Stoich.:	AB7C19D27 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	13.6
Dipole, Da:	2.67
IP(EA), eV:	-8.6(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC(CC3)C4=NC(=NC=C4)N

DOS

IR

Vibrations