Geometry & MOs

Info

ID:	241777
PubChem CID:	96024235
Reduced:	NC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-3.17
Dipole, Da:	2.72
IP(EA), eV:	-8.59(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclopropylmethyl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@H](C)NC

DOS

IR

Vibrations