Geometry & MOs

Info

ID:	156201
PubChem CID:	56369505
Reduced:	BrClO2N3H13C15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	4.76
IP(EA), eV:	-9.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(=O)N)C(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations