Geometry & MOs

Info

ID:	369031
PubChem CID:	127331137
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	3.03
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCCC(C2)NC(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations