Geometry & MOs

Info

ID:	330509
PubChem CID:	127247916
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-59.34
Dipole, Da:	7.43
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylindole-3-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCN(CC(C3)C(=O)NC)C)C

DOS

IR

Vibrations