Geometry & MOs

Info

ID:	367264
PubChem CID:	127324041
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-57.39
Dipole, Da:	3.46
IP(EA), eV:	-9.24(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[(2-methylpyrazol-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)CNC(=O)N3CCNC(=O)CC3C4=CC=CC=C4

DOS

IR

Vibrations