Geometry & MOs

Info

ID:	368708
PubChem CID:	127329917
Reduced:	O3N4C18H32 (1)
Stoich.:	A3B4C18D32 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	3.73
IP(EA), eV:	-8.78(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC)C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations