Geometry & MOs

Info

ID:	364043
PubChem CID:	127313714
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-47.95
Dipole, Da:	6.6
IP(EA), eV:	-9.31(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-N-phenylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations