Geometry & MOs

Info

ID:	157715
PubChem CID:	56436651
Reduced:	N3C23H33 (1)
Stoich.:	A3B23C33 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	19.81
Dipole, Da:	2.85
IP(EA), eV:	-8.24(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(azepan-1-yl)pyridin-3-yl]-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CNCC2=CN=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations