Geometry & MOs

Info

ID:	214211
PubChem CID:	84974644
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	353.182495
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	3.55
IP(EA), eV:	-7.67(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC(C3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations