Geometry & MOs

Info

ID:	418439
PubChem CID:	135104783
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-26.12
Dipole, Da:	1.83
IP(EA), eV:	-9.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(2-anilinopyrimidine-5-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CNC(=O)C=N4

DOS

IR

Vibrations