Geometry & MOs

Info

ID:	413332
PubChem CID:	135086280
Reduced:	BrN2H25C28 (1)
Stoich.:	AB2C25D28 (1)
Weight, g/mol:	448.15141
ΔH_f, kcal/mol:	137.14
Dipole, Da:	2.53
IP(EA), eV:	-8.34(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-[(2-hex-1-ynylphenyl)methyl]indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3C#CC4=CC=CC=C4)Br

DOS

IR

Vibrations