Geometry & MOs

Info

ID:	403515
PubChem CID:	135060625
Reduced:	N2O5H26C30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	322.215747
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	1.17
IP(EA), eV:	-8.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(9-butylpyrido[3,4-b]indol-1-yl)methylideneamino]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)/C=C/C2=CC3=C(C(=N2)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C53

DOS

IR

Vibrations