Geometry & MOs

Info

ID:	348770
PubChem CID:	127273881
Reduced:	O2N6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	4.56
IP(EA), eV:	-9.2(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC=C(C=C2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations