Geometry & MOs

Info

ID:	427263
PubChem CID:	135156518
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	4.32
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1CC2=CC=C(C=C2)C(=O)OC)C(=O)O

DOS

IR

Vibrations