Geometry & MOs

Info

ID:	367193
PubChem CID:	127323961
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-70.87
Dipole, Da:	3.88
IP(EA), eV:	-8.83(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpyrrolidin-3-yl)-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)O)NC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations