Geometry & MOs

Info

ID:	17120
PubChem CID:	484618
Reduced:	ON3C10H15 (2)
Stoich.:	AB3C10D15 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-13.31
Dipole, Da:	1.61
IP(EA), eV:	-7.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(diethylamino)ethyl]-7,8-dimethoxy-2-N,2-N-dimethyl-5H-pyrimido[5,4-b]indole-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=NC(=NC2=C1NC3=CC(=C(C=C32)OC)OC)N(C)C

DOS

IR

Vibrations