Geometry & MOs

Info

ID:	364212
PubChem CID:	127314515
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-89.67
Dipole, Da:	6.25
IP(EA), eV:	-8.59(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-hydroxycyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1C)CCN(C2)C(=O)C3(CCCC3)O

DOS

IR

Vibrations