Geometry & MOs

Info

ID:	187044
PubChem CID:	77524690
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	277.142641
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	3.4
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyl-4-carbamoylpyrrolidin-3-yl)methylcarbamic acid

Drug info:

PubChemData

Smile

CCC1C(N(CCN1C(=O)O)CC=C)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations