Geometry & MOs

Info

ID:	204574
PubChem CID:	79984357
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	2.5
IP(EA), eV:	-9.27(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopropylphenyl)-2-(1,4-diazepan-1-yl)acetic acid

Drug info:

PubChemData

Smile

CNC(C1=CC=CC(=C1)C2CC2)C(=O)OC

DOS

IR

Vibrations