Geometry & MOs

Info

ID:	304434
PubChem CID:	124594496
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-51.34
Dipole, Da:	7.0
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(methylaminomethyl)piperidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)N3CCC[C@@H](C3)CNC

DOS

IR

Vibrations