Geometry & MOs

Info

ID:	206461
PubChem CID:	80255187
Reduced:	ClN2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	239.118925
ΔH_f, kcal/mol:	-19.35
Dipole, Da:	2.89
IP(EA), eV:	-9.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC(CC1=NC=NC2=C1CCCCC2)Cl

DOS

IR

Vibrations