Geometry & MOs

Info

ID:	39308
PubChem CID:	8140205
Reduced:	O2N3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003389
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations