Geometry & MOs

Info

ID:	436967
PubChem CID:	135213377
Reduced:	O4N5C17H25 (1)
Stoich.:	A4B5C17D25 (1)
Weight, g/mol:	207.1987
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	5.96
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-(3,3-dimethylhexan-2-ylidene)-2-methylidenepiperidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(NC1(CCN(CC1)C2=NC=NC3=C2C=CN3)C(=O)O)O

DOS

IR

Vibrations