Geometry & MOs

Info

ID:	178165
PubChem CID:	76288675
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	-59.77
Dipole, Da:	3.16
IP(EA), eV:	-9.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-methyl-1-oxo-1-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methylamino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCC1=CC(=CC=C1)CN2C=CC=N2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations