Geometry & MOs

Info

ID:	345364
PubChem CID:	127269664
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-88.01
Dipole, Da:	7.87
IP(EA), eV:	-8.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyanophenyl)-N-(3,4-dihydro-2H-chromen-6-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCN(CC3)C(=O)CC4=CC=CC=C4)OC1

DOS

IR

Vibrations