Geometry & MOs

Info

ID:	168244
PubChem CID:	74940267
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-91.76
Dipole, Da:	11.13
IP(EA), eV:	-8.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-1-[(4-methoxyphenyl)methyl]-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(C(C(=O)NC2=O)C3C4=C(CC[NH2+]3)C5=CC=CC=C5N4)[O-]

DOS

IR

Vibrations