Geometry & MOs

Info

ID:	334785
PubChem CID:	127253460
Reduced:	N4O7C40H58 (1)
Stoich.:	A4B7C40D58 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-151.24
Dipole, Da:	9.66
IP(EA), eV:	-8.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N(CCOC)C[C@@H]1CCCN2[C@@H]1CCCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations