Geometry & MOs

Info

ID:	245172
PubChem CID:	99437728
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-33.34
Dipole, Da:	6.57
IP(EA), eV:	-8.8(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(2-methoxy-5-methylanilino)propanoylamino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations