Geometry & MOs

Info

ID:	174904
PubChem CID:	75829312
Reduced:	N4O6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	375.01062
ΔH_f, kcal/mol:	-74.8
Dipole, Da:	8.19
IP(EA), eV:	-9.87(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-carbamoylphenyl) 3-(5-bromo-2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OCC(CN2C=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations