Geometry & MOs

Info

ID:	171616
PubChem CID:	75406135
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-119.9
Dipole, Da:	4.38
IP(EA), eV:	-9.24(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN(C)C(=O)C(C)(C)NC(=O)NC

DOS

IR

Vibrations