Geometry & MOs

Info

ID:	130095
PubChem CID:	51074921
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-36.7
Dipole, Da:	2.39
IP(EA), eV:	-8.77(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-(4-methylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCN(C)C(=O)C2=C(N(N=C2)C)C

DOS

IR

Vibrations