Geometry & MOs

Info

ID:	23720
PubChem CID:	605523
Reduced:	ON2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	376.251464
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	3.26
IP(EA), eV:	-8.16(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3=C(CCN2)C4=CC=CC=C4N3

DOS

IR

Vibrations