Geometry & MOs

Info

ID:	367220
PubChem CID:	127323995
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	7.23
IP(EA), eV:	-9.13(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCC3=CC=C(C=C3)C(=O)N4CCNC(=O)C4

DOS

IR

Vibrations