Geometry & MOs

Info

ID:	355312
PubChem CID:	127288269
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	3.89
IP(EA), eV:	-9.77(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)NC(=O)CN2CCC3=CN=CN=C3C2

DOS

IR

Vibrations