Geometry & MOs

Info

ID:	224015
PubChem CID:	85337032
Reduced:	NO3C30H39 (1)
Stoich.:	AB3C30D39 (1)
Weight, g/mol:	466.244087
ΔH_f, kcal/mol:	-111.1
Dipole, Da:	5.05
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-aminophenyl)-5-(2-ethyl-2-methylhydrazinyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)CCCC(=O)O)C)C

DOS

IR

Vibrations