Geometry & MOs

Info

ID:	203758
PubChem CID:	79866223
Reduced:	NOSC18H23 (1)
Stoich.:	ABCD18E23 (1)
Weight, g/mol:	343.12593
ΔH_f, kcal/mol:	2.45
Dipole, Da:	6.15
IP(EA), eV:	-8.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-2-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methyl]-5,5-dimethylcyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC(C1NC)S(=O)C2=CC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations