Geometry & MOs

Info

ID:	448591
PubChem CID:	135292126
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	438.241962
ΔH_f, kcal/mol:	27.31
Dipole, Da:	7.82
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[(2R)-2-cyclopropyl-4-[6-cyclopropyl-5-(6-ethenylpyridin-2-yl)-3-ethynylpyridin-2-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)CCOC)C2=NC(=C(C=C2C#N)C3=CC(=C(C=C3)C=N)N)C4CC4

DOS

IR

Vibrations