Geometry & MOs

Info

ID:	325151
PubChem CID:	126681534
Reduced:	O3N5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	512.242356
ΔH_f, kcal/mol:	-42.49
Dipole, Da:	4.02
IP(EA), eV:	-8.31(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)NC3=CC=CC=C3)C4=CC=CC(=C4)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations