Geometry & MOs

Info

ID:	345362
PubChem CID:	127269662
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	5.21
IP(EA), eV:	-8.16(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-2-pyridin-4-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)NC(=O)N3CCC4=C(C3)C=C(C=C4)O)OC1

DOS

IR

Vibrations