Geometry & MOs

Info

ID:	29622
PubChem CID:	835853
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-56.46
Dipole, Da:	5.16
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-N-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methanimine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations