Geometry & MOs

Info

ID:	286093
PubChem CID:	104152473
Reduced:	BrSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	49.18
Dipole, Da:	2.36
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-methyl-N-(oxolan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CN)N(C)CC2=CC(=CS2)Br

DOS

IR

Vibrations