Geometry & MOs

Info

ID:	417103
PubChem CID:	135091380
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	5.03
IP(EA), eV:	-8.77(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-2-methyl-6-[methyl-[(1-prop-2-enylbenzimidazol-2-yl)methyl]amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CCNC1=NC(=NC=C1)N2C[C@H]([C@H](C2)O)CC3=CC(=NO3)C

DOS

IR

Vibrations