Geometry & MOs

Info

ID:	416890
PubChem CID:	135090733
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	335.268511
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	7.76
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(O1)C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C

DOS

IR

Vibrations