Geometry & MOs

Info

ID:	306883
PubChem CID:	125264169
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	339.169525
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	4.22
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-4-(1-methylpyrazol-4-yl)-1-(6-methylpyridine-3-carbonyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)N2CC[C@H]3[C@H]2CCC(=O)N3C4=CN(N=C4)C

DOS

IR

Vibrations