Geometry & MOs

Info

ID:	185514
PubChem CID:	77308840
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	379.085432
ΔH_f, kcal/mol:	-134.83
Dipole, Da:	6.08
IP(EA), eV:	-9.77(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)pyrrolidin-3-yl]methyl-[(5-chloropyridin-2-yl)methyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(CC1)OC2=NC=C(C=C2)C#N)NC(=O)O

DOS

IR

Vibrations