Geometry & MOs

Info

ID:	71102
PubChem CID:	48414290
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-80.47
Dipole, Da:	1.89
IP(EA), eV:	-9.71(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(NN=C3)C)NC1=O

DOS

IR

Vibrations