Geometry & MOs

Info

ID:	186846
PubChem CID:	77492812
Reduced:	O2N3C31H45 (1)
Stoich.:	A2B3C31D45 (1)
Weight, g/mol:	443.239576
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	2.64
IP(EA), eV:	-8.35(0.08)
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-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C3=NC(=CC=C3)N4CCC(CC4)CNC5CCCC(C5O)O)(C)C)C

DOS

IR

Vibrations