Geometry & MOs

Info

ID:	347023
PubChem CID:	127271527
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	366.182254
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	3.88
IP(EA), eV:	-9.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-[(1-methylpyrrolidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=CC=CC=N4

DOS

IR

Vibrations