Geometry & MOs

Info

ID:	367371
PubChem CID:	127324323
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	2.07
IP(EA), eV:	-9.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOC1)CNC(=O)N2CCNC(=O)CC2C3=CC=CC=C3

DOS

IR

Vibrations