Geometry & MOs

Info

ID:	346777
PubChem CID:	127271281
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-101.97
Dipole, Da:	4.14
IP(EA), eV:	-9.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-[1-(oxolan-2-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)NC(C)CC3CCCO3

DOS

IR

Vibrations