Geometry & MOs

Info

ID:	433606
PubChem CID:	135173746
Reduced:	ClO4N8C42H47 (1)
Stoich.:	AB4C8D42E47 (1)
Weight, g/mol:	300.256549
ΔH_f, kcal/mol:	-73.73
Dipole, Da:	7.22
IP(EA), eV:	-8.19(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-propan-2-ylazetidin-3-yl)-4-(4-propan-2-ylphenyl)piperidine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCC(C4)O)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)CC8CCC(CC8)C(=O)O)Cl

DOS

IR

Vibrations