Geometry & MOs

Info

ID:	288354
PubChem CID:	104315376
Reduced:	BrN4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	346.07931
ΔH_f, kcal/mol:	47.57
Dipole, Da:	2.39
IP(EA), eV:	-8.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1NCC)C2=C(C=CC=N2)Br)C

DOS

IR

Vibrations