Geometry & MOs

Info

ID:	423249
PubChem CID:	135119170
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	350.206639
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	5.54
IP(EA), eV:	-8.68(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)CCCC2=CC=C(C=C2)OC

DOS

IR

Vibrations