Geometry & MOs

Info

ID:	343162
PubChem CID:	127266335
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	3.29
IP(EA), eV:	-8.24(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-N-pyrimidin-4-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CC2)NC(=O)N3CCCCC4=C3C=CC=C4OC

DOS

IR

Vibrations