Geometry & MOs

Info

ID:	353191
PubChem CID:	127284371
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	6.59
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-indene-4-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCCN(CC3)C(=O)N)C

DOS

IR

Vibrations