Geometry & MOs

Info

ID:	187901
PubChem CID:	77641191
Reduced:	N2O7C18H30 (1)
Stoich.:	A2B7C18D30 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-339.55
Dipole, Da:	3.68
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carbamimidoylanilino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)(C)C)OC1CCN(C1)C(=O)NCC(=O)CCC(=O)OC

DOS

IR

Vibrations