Geometry & MOs

Info

ID:	264917
PubChem CID:	103503924
Reduced:	ClN2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	276.231397
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	3.11
IP(EA), eV:	-8.46(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]butan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC(=C(C=C1)N2CCC(CC2)C(C)C)Cl)N

DOS

IR

Vibrations