Geometry & MOs

Info

ID:	296226
PubChem CID:	117561603
Reduced:	BrN5C14H16 (1)
Stoich.:	AB5C14D16 (1)
Weight, g/mol:	247.179696
ΔH_f, kcal/mol:	46.68
Dipole, Da:	2.41
IP(EA), eV:	-8.62(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=NC3=C2CNCC3)N)Br

DOS

IR

Vibrations