Geometry & MOs

Info

ID:	206353
PubChem CID:	80237456
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	252.256549
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	5.26
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4,4-trimethylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)O)N(C)C2CCC(CC2)(C)C

DOS

IR

Vibrations