Geometry & MOs

Info

ID:	358395
PubChem CID:	127295940
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-34.53
Dipole, Da:	2.11
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations