Geometry & MOs

Info

ID:	70512
PubChem CID:	48413455
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	2.86
IP(EA), eV:	-8.55(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(diethylamino)pentan-2-yl]-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations