Geometry & MOs

Info

ID:	198797
PubChem CID:	79152702
Reduced:	ON2C5H10 (2)
Stoich.:	AB2C5D10 (2)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	5.66
IP(EA), eV:	-9.41(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)N1CCOCC1)C(=N)N

DOS

IR

Vibrations