Geometry & MOs

Info

ID:	190543
PubChem CID:	78018845
Reduced:	PSN4O4C26H31 (1)
Stoich.:	ABC4D4E26F31 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	9.61
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl)-1-methyl-5-pyrazol-1-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1(CN(C(=O)C2=C(C(=O)C(=CN21)C3=NC=C(S3)CC4=CC=C(C=C4)P)O)C(C)C)C(=O)N(C)C

DOS

IR

Vibrations