Geometry & MOs

Info

ID:	379750
PubChem CID:	134464228
Reduced:	NH20C29 (2)
Stoich.:	AB20C29 (2)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	248.37
Dipole, Da:	3.16
IP(EA), eV:	-7.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[formyl(2,2,4-trimethylheptyl)amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC=C(C=C5)N(C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=CC=C9)C1=C3C2=CC=CC=C2C=C1

DOS

IR

Vibrations