Geometry & MOs

Info

ID:	204778
PubChem CID:	80006425
Reduced:	BrN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	6.0
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(4-carbamoylphenyl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(O2)CN)Br

DOS

IR

Vibrations