Geometry & MOs

Info

ID:	62001
PubChem CID:	26716837
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	417.05757
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	1.68
IP(EA), eV:	-9.41(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations