Geometry & MOs

Info

ID:	75156
PubChem CID:	48423099
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	7.14
IP(EA), eV:	-9.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-(1-pyrazol-1-ylpropan-2-ylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=C(N=CC=C2)N3C=CN=C3

DOS

IR

Vibrations