Geometry & MOs

Info

ID:	138517
PubChem CID:	52379083
Reduced:	N3C16H26 (1)
Stoich.:	A3B16C26 (1)
Weight, g/mol:	373.260351
ΔH_f, kcal/mol:	59.81
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.863649
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1C[NH2+][C@H](C)C2=CCCCC2)CC=C

DOS

IR

Vibrations