Geometry & MOs

Info

ID:	312703
PubChem CID:	126607465
Reduced:	BrN5O6C22H26 (1)
Stoich.:	AB5C6D22E26 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-133.54
Dipole, Da:	3.54
IP(EA), eV:	-9.16(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-2-ylamino)-N-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N(CC1=CC(=CC=C1)N(CC=C)C(=O)OC(C)C)C2=CC(=NC(=C2[N+](=O)[O-])N)Br

DOS

IR

Vibrations