Geometry & MOs

Info

ID:	172316
PubChem CID:	75496965
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	328.00587
ΔH_f, kcal/mol:	8.08
Dipole, Da:	2.55
IP(EA), eV:	-9.2(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-nitrophenyl)-2-(cyclopropylmethoxy)acetamide

Drug info:

PubChemData

Smile

CC(C)C(CO)N(CC1=CC=CC=C1)CC2=CC=C(C=C2)OC3=NC=CN=C3

DOS

IR

Vibrations