Geometry & MOs

Info

ID:	157582
PubChem CID:	56435860
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	405.205242
ΔH_f, kcal/mol:	-127.18
Dipole, Da:	5.36
IP(EA), eV:	-9.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-benzyl-3-phenylpyrazole-4-carbonyl)-ethylamino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C2=CC=CC=C2)NC(=O)CC(C)C

DOS

IR

Vibrations