Geometry & MOs

Info

ID:	126450
PubChem CID:	50965510
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	75.17
Dipole, Da:	3.27
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methyl-4-[methyl(3-pyrrolidin-1-ylpropyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(C)CC2=C3C=CC=NC3=CC=C2

DOS

IR

Vibrations