Geometry & MOs

Info

ID:	245069
PubChem CID:	99437362
Reduced:	O3N5H23C26 (1)
Stoich.:	A3B5C23D26 (1)
Weight, g/mol:	372.169859
ΔH_f, kcal/mol:	13.7
Dipole, Da:	5.71
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@H](C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4N3)C5=CC=CC=C5

DOS

IR

Vibrations