Geometry & MOs

Info

ID:	75809
PubChem CID:	48424010
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	345.143704
ΔH_f, kcal/mol:	-30.73
Dipole, Da:	2.89
IP(EA), eV:	-8.32(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)CN2CCN(CC2)CC3=CC=CC=C3)OCC4CC4

DOS

IR

Vibrations