Geometry & MOs

Info

ID:	145474
PubChem CID:	53530547
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	386.99853
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	2.53
IP(EA), eV:	-9.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[[2-(4-bromophenyl)acetyl]amino]pyrazol-1-yl]acetate;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)NC(C)C2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations