Geometry & MOs

Info

ID:	327797
PubChem CID:	126691078
Reduced:	ClNOPC5H11 (1)
Stoich.:	ABCDE5F11 (1)
Weight, g/mol:	511.1219
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	2.4
IP(EA), eV:	-8.52(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3R)-3-[5-amino-4-[amino(hydroxy)methyl]-3-(4-phenoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]-4-bromobut-2-en-1-one

Drug info:

PubChemData

Smile

C1CN(POC1)CCCl

DOS

IR

Vibrations