Geometry & MOs

Info

ID:	396372
PubChem CID:	135028224
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-32.18
Dipole, Da:	6.46
IP(EA), eV:	-9.24(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methyl]-7-nitroquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations