Geometry & MOs

Info

ID:	367272
PubChem CID:	127324049
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-88.61
Dipole, Da:	4.09
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)C(=O)NCC4CCN(C4)C5CC5

DOS

IR

Vibrations