Geometry & MOs

Info

ID:	148281
PubChem CID:	53787943
Reduced:	ClNO6C26H26 (1)
Stoich.:	ABC6D26E26 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-180.29
Dipole, Da:	2.02
IP(EA), eV:	-8.32(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-pentan-2-ylnitrous amide

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)O)C2=CC(=CC=C2)Cl)C(=O)OCC=CC3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations