Geometry & MOs

Info

ID:	241161
PubChem CID:	96021610
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	3.85
Dipole, Da:	2.08
IP(EA), eV:	-8.88(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[4-(difluoromethoxy)phenyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)CC3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations