Geometry & MOs

Info

ID:	368781
PubChem CID:	127330103
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	360.204907
ΔH_f, kcal/mol:	-182.6
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(azepane-1-carbonyl)phenyl]-2-(oxolan-3-ylmethoxy)acetamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)COCC3CCOC3)C

DOS

IR

Vibrations