Geometry & MOs

Info

ID:	126137
PubChem CID:	50952991
Reduced:	ON6C22H24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	350.221895
ΔH_f, kcal/mol:	63.03
Dipole, Da:	6.93
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=NC=CC=N2)CC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations