Geometry & MOs

Info

ID:	185830
PubChem CID:	77356321
Reduced:	N3O5C36H43 (1)
Stoich.:	A3B5C36D43 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-145.0
Dipole, Da:	4.33
IP(EA), eV:	-8.8(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(2-amino-4-butyl-6-oxo-1,3-diazinan-5-yl)methyl]-2-phenylbenzoate

Drug info:

PubChemData

Smile

CCC1(C(N(C1=O)C(=O)NC(CC=C)C2=CC=C(C=C2)C)OC3=CC=C(C=C3)CCNCC(=O)OCC4=CC=CC=C4)CC

DOS

IR

Vibrations