Geometry & MOs

Info

ID:	362626
PubChem CID:	127308894
Reduced:	O2N4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-84.16
Dipole, Da:	6.93
IP(EA), eV:	-8.56(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)NC3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations