Geometry & MOs

Info

ID:	305622
PubChem CID:	124962881
Reduced:	N2O2C21H30 (1)
Stoich.:	A2B2C21D30 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	1.76
IP(EA), eV:	-9.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-1-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N([C@H]2CC3(CCNCC3)OC2)C4=CC=CC=C4

DOS

IR

Vibrations